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1-(3,4-dimethoxyphenyl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]propan-1-one

1-(3,4-dimethoxyphenyl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]propan-1-one

Formula: C18H16F4O3

SMILES: COC1=C(OC)C=C(C=C1)C(=O)CCC1=C(F)C(=CC=C1)C(F)(F)F

IUPAC: 1-(3,4-dimethoxyphenyl)-3-[2-fluoro-3-(trifluoromethyl)phenyl]propan-1-one

InChI: InChI=1S/C18H16F4O3/c1-24-15-9-7-12(10-16(15)25-2)14(23)8-6-11-4-3-5-13(17(11)19)18(20,21)22/h3-5,7,9-10H,6,8H2,1-2H3

Composition: C (60.68%), H (4.53%), F (21.33%), O (13.47%)

Molar Mass: 356.317

Atom Count: 41

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 356.103557027
Formal Charge 0
FSP3 0.28
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey YVHWORDCJOBTEM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.9
Topological Polar Surface Area 35.53
Polarizability 31.38
Ring Count 2
Rotatable Bond Count 7

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C18H16F4O3 $1,301.00-$2,420.00$1,301.00$1,320.00$2,420.00
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